CID 63656

Brn 5643118

Structural Information

Molecular Formula
C23H17N3O3S
SMILES
C1C(=O)N(C(S1)C2=CC(=CC=C2)O)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C23H17N3O3S/c27-17-10-6-9-16(13-17)23-25(20(28)14-30-23)26-21(15-7-2-1-3-8-15)24-19-12-5-4-11-18(19)22(26)29/h1-13,23,27H,14H2
InChIKey
UPNWCRIXMTZEHQ-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenyl)-3-(4-oxo-2-phenylquinazolin-3-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.09906 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.10634 198.6
[M+Na]+ 438.08828 208.6
[M-H]- 414.09178 207.9
[M+NH4]+ 433.13288 207.1
[M+K]+ 454.06222 200.3
[M+H-H2O]+ 398.09632 188.1
[M+HCOO]- 460.09726 210.8
[M+CH3COO]- 474.11291 207.5
[M+Na-2H]- 436.07373 197.7
[M]+ 415.09851 199.4
[M]- 415.09961 199.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.